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Compare vibrational frequencies in CCCBDB for CH3ONO (Methyl nitrite)

PBEPBE/6-31+G**

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A' 3119 3084   47 A'   3037  
2 A' 2982 2948   -2 A'   2950  
3 A' 1644 1625   11 A'   1613  
4 A' 1437 1420   -34 A'   1454  
5 A' 1381 1366   -42 A'   1408  
6 A' 1131 1118   -121 A'   1239  
7 A' 959 948   -43 A'   991  
8 A' 822 813   -25 A'   838  
9 A' 566 560   -67 A'   627  
10 A' 324 320   -26 A'   346  
11 A" 3060 3025   34 A"   2991  
12 A" 1423 1407   -31 A"   1438  
13 A" 1108 1095   -48 A"   1143  
14 A" 371 367    A"      
15 A" 148 147   -39 A"   186  
The calculated vibrational frequencies were scaled by 0.9886

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.